UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol (1R)-1-cyclopropyl-2-[(4-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.64 0.89 -55.57 3 5 1 76 198.246 5 ↓
Hi High (pH 8-9.5) 0.64 -0.47 -11.12 2 5 0 71 197.238 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol (1S)-1-cyclopropyl-2-[(4-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.64 1.11 -56.05 3 5 1 76 198.246 5 ↓
Hi High (pH 8-9.5) 0.64 -0.3 -11.15 2 5 0 71 197.238 5 ↓

Analogs

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Popular Name: (2S)-1-cyclopropyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine (2S)-1-cyclopropyl-N-[(4-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.89 4.63 -49.56 2 4 1 56 196.274 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propan-2-amine (2R)-1-cyclopropyl-N-[(4-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.89 4.68 -50.71 2 4 1 56 196.274 5 ↓

Analogs

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Popular Name: (2S)-1-cyclopropyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]butan-2-amine (2S)-1-cyclopropyl-N-[(4-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.42 5.23 -50.42 2 4 1 56 210.301 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]butan-2-amine (2R)-1-cyclopropyl-N-[(4-methyl-…

Find On: PubMed — Wikipedia — Google

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.42 5.3 -50.96 2 4 1 56 210.301 6 ↓

Parameters Provided:

ring.id = 460337
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 460337 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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